5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid

C9H7NO4S — CID 90993428

IUPAC5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid
SMILESO=C(O)C1=Cc2sccc2N(C(=O)O)C1
InChIInChI=1S/C9H7NO4S/c11-8(12)5-3-7-6(1-2-15-7)10(4-5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyIHSAOMPFOFQHNQ-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.71
Rot. Bonds1

About 5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid

5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid (PubChem CID 90993428) has the molecular formula C9H7NO4S and a molecular weight of 225.22 g/mol. Its IUPAC name is 5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid.

Molecular Properties

Compound Name5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid
PubChem CID90993428
Molecular FormulaC9H7NO4S
Molecular Weight225.22 g/mol
Exact Mass225.01
IUPAC Name5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid
SMILESO=C(O)C1=Cc2sccc2N(C(=O)O)C1
InChIInChI=1S/C9H7NO4S/c11-8(12)5-3-7-6(1-2-15-7)10(4-5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyIHSAOMPFOFQHNQ-UHFFFAOYSA-N
XLogP1.71
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-4H-thieno[3,2-b]pyridine-6-carboxylic acid
CID 23130748
4-Butyl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxylic acid
CID 57234426
7-Hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxylic acid
CID 68721405
6-O-ethyl 4-O-propan-2-yl 5H-thieno[3,2-b]pyridine-4,6-dicarboxylate
CID 69643799
4,5-Dihydrothieno[3,2-b]pyridine-6-carboxylic acid
CID 91188582

Frequently Asked Questions

What is the IUPAC name of 5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid?
The IUPAC name of 5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid (CID 90993428) is 5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid.
What is the SMILES notation for 5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid?
The canonical SMILES for 5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid is O=C(O)C1=Cc2sccc2N(C(=O)O)C1.
What is the InChIKey of 5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid?
The InChIKey is IHSAOMPFOFQHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4S/c11-8(12)5-3-7-6(1-2-15-7)10(4-5)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14).
What are the key properties of 5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid?
5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-thieno[3,2-b]pyridine-4,6-dicarboxylic acid is sourced from PubChem (CID 90993428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).